4534-2399 Screening compound: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

4534-2399 Screening compound: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
4534-2399 Screening compound: 5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-2399
5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4534-2399

Molecular Formula

C16H13N3O4 (C16 H13 N3 O4)

Compound Name

5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

5-[(2-methylphenoxy)methyl]-3-(4-nitrophenyl)-124-oxadiazole

SMILES

Cc(cccc1)c1OCc1nc(-c(cc2)ccc2[N+]([O-])=O)no1

InChI

InChI=1S/C16H13N3O4/c1-11-4-2-3-5-14(11)22-10-15-17-16(18-23-15)12-6-8-13(9-7-12)19(20)21/h2-9H,10H2,1H3

InChI Key

PCFKFOZHTFXEQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.62

Polar Surface Area

72.277

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4534-2399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-2399?
Check Price and Availability of 4534-2399, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4534-2399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-2399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-2399
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4534-2399 available by request